Geometry & MOs

Info

ID:

163237

PubChem CID:

57654989

Reduced:

N2S4O6C13H31 (1)

Stoich.:

A2B4C6D13E31 (1)

Weight, g/mol:

411.27831

ΔHf, kcal/mol:

-283.16

Dipole, Da:

8.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752412

Charge, e:

 0

Chem-info

IUPAC name:

sodium;2-[methyl(octadecanoyl)amino]ethanesulfinate

Drug info:

PubChemData

Smile

CCOS(=O)(=S)CNCCC[N+](CCO)(CCO)CSS(=O)(=O)CC

DOS

IR

Vibrations